3-[(3S,12S,15S,18S,33S,45S)-3,39-dibenzyl-20,46-dihydroxy-39-(hydroxymethyl)-6,6,9,9,24,24,27,27,30,30,42,42-dodecamethyl-33-(2-methylpropyl)-2,5,8,11,14,17,23,26,29,32,35,38,41,44-tetradecaoxo-12-propan-2-yl-1,4,7,10,13,16,22,25,28,31,34,37,40,43-tetradecazatricyclo[43.3.0.018,22]octatetracontan-15-yl]propanamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[(3S,12S,15S,18S,33S,45S)-3,39-dibenzyl-20,46-dihydroxy-39-(hydroxymethyl)-6,6,9,9,24,24,27,27,30,30,42,42-dodecamethyl-33-(2-methylpropyl)-2,5,8,11,14,17,23,26,29,32,35,38,41,44-tetradecaoxo-12-propan-2-yl-1,4,7,10,13,16,22,25,28,31,34,37,40,43-tetradecazatricyclo[43.3.0.018,22]octatetracontan-15-yl]propanamide
• 化学式: C₇₁H₁₀₇N₁₅O₁₈
• 分子量: 1458.7
• InChiKey: GWEVIYFFHJZCPV-WHSDTMKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  104
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  494
• 氢给体数：
  16
• 氢受体数：
  18